Ethyl 2,3,6-trimethylcyclohexyl carbonate (CAS 93981-50-1) — Woody Middle Note Fragrance Ingredient

ByThe Good Scents
Woody · Green

Ethyl 2,3,6-trimethylcyclohexyl carbonate

CAS 93981-50-1

Origin
synthetic
Note
Middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Ethyl 2,3,6-trimethylcyclohexyl carbonate?

Ethyl 2,3,6-trimethylcyclohexyl carbonate is a synthetic fragrance ingredient used to create fresh, woody, and slightly floral accords in perfumes and scented products. It’s commonly found in fine fragrances, body care items, and household cleaners for its clean, modern scent profile. This compound is valued for its ability to add subtle complexity without overpowering other notes, making it a versatile tool for perfumers seeking contemporary, gender-neutral fragrance effects.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major restrictions in current IFRA guidelines
✓ Low skin sensitization potential
CAS
93981-50-1
Formula
Mixture
MW
Variable
Odor Family
Woody · Green
Layer 1 · Enthusiast

What Does Ethyl 2,3,6-trimethylcyclohexyl carbonate Smell Like?

This synthetic molecule opens with a crisp, almost metallic freshness reminiscent of chilled stainless steel, quickly revealing a core of dry, papery woods akin to freshly planed cedar. The carbonate functional group lends a subtle marine nuance that dances between ozonic and mineralic. As it dries down, soft whispers of violet leaf emerge, though never sweet—more like the green husk of unripe walnuts. The trimethylcyclohexyl backbone provides exceptional tenacity for a top-mid note, leaving behind a clean, almost architectural woody impression that integrates seamlessly with modern amber bases.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Bois d'Argent(Dior, 2004)

Used here to amplify the ‘blonde woods’ concept, contributing a sleek, polished wood effect that contrasts with the fragrance’s honeyed iris core.

Santal 33(Le Labo, 2011)

Provides the subtle pencil shavings accent that complements the fragrance’s signature sandalwood-papyrus drydown.

Silver Mountain Water(Creed, 1995)

Works behind the citrus top to create the illusion of cold mountain air flowing through alpine forests.

Layer 2

2D Molecular Structure

Carbonic acid, ethyl 2,3,6-trimethylcyclohexyl ester

SMILES: CCOC(=O)OC1C(C)CCC(C)C1C

Chemistry, Properties & Perfumer Guide

The Chemistry

Ethyl 2,3,6-trimethylcyclohexyl carbonate belongs to the family of cyclic carbonates, synthesized through esterification of the corresponding alcohol with ethyl chloroformate. The trimethyl substitution pattern on the cyclohexane ring creates significant steric hindrance, influencing both its odor profile and chemical reactivity. Industrial production typically involves catalytic hydrogenation of corresponding aromatic precursors followed by carbonate formation. The molecule lacks chiral centers but exhibits conformational isomerism that may contribute to its complex odor characteristics.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Odor Threshold0.02 ppm in air

Perfumer Guide

Note Position
Middle
Volatility
Moderate (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Used as a woody-modifier
Functional Fragrances0.5-1.5%Up to 2%For clean linen effects

Classic Accords

Tip: Use in trace amounts (0.1-0.5%) to add lift to heavy woody bases without changing their fundamental character.

Alternatives & Comparisons

1
Vertofix Coeur CAS 68039-49-6

Offers similar woody effects with more pronounced cedar character, useful when needing greater projection.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

General reference only. Consult current IFRA Standards Library before formulating.

IFRA Status

Not currently restricted under IFRA standards. Listed on IFRA Transparency List with no usage limits specified.

RIFM Assessment

No specific RIFM assessment found for this material. Considered low risk based on structural analogs.

Sustainability

As a purely synthetic material, this compound avoids natural resource depletion concerns. Production typically occurs in facilities with modern environmental controls, though the petrochemical origin means it’s not renewable. Carbonate formation step requires careful solvent management to minimize VOC emissions.

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References

    Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.

    Report a data error

    Ingredient Data Sheet

    CAS 93981-50-1

    Physical Properties

    Molecular Weight214.3 g/mol🔬 PubChem
    LogP (Octanol-Water)4🔬 PubChem
    Boiling Point235 °C🔬 EPA CompTox
    Vapor Pressure0.0372 mmHg @ 25°C📊 OPERA
    Flash Point99.1 °C🔬 EPA CompTox
    Involatility Index0.0027💻 Calculated
    log Kp (skin permeability)-1.167💻 Calculated
    SMILESCCOC(=O)OC1C(CCC(C1C)C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated
    Volatility ClassVery slow💻 Calculated
    Persistence Score3.1 / 5💻 Calculated

    Odor & Flavor

    Primary Descriptorsgreenwoody• leffingwell
    Functional Groupsether💻 RDKit
    Data Sources & Attribution
    Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.

    Physicochemical Properties

    DTXSID: DTXSID30869167

    Physical Properties

    Molecular Weight 214.305 g/mol🔬 EPA CompTox
    Density 0.961 g/cm^3📊 OPERA
    Boiling Point 249.981 °C📊 OPERA
    Melting Point -0.961 °C📊 OPERA
    Flash Point 102.653 °C📊 OPERA
    Refractive Index 1.449 Dimensionless📊 OPERA
    Molar Volume 220.189 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 4.132 Log10 unitless📊 OPERA
    LogD (pH 5.5) 4.132 Log10 unitless📊 OPERA
    LogD (pH 7.4) 4.132 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 5.86 Log10 unitless📊 OPERA
    Water Solubility 0.001 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole📊 OPERA

    Transport Properties

    Vapor Pressure 0.015 mmHg📊 OPERA
    Viscosity 7.286 cP📊 OPERA
    Surface Tension 29.374 dyn/cm📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 35.53 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 2 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 59.069 cm^3/mol📊 OPERA
    Polarizability 23.417 Å^3📊 OPERA

    Data Sources:

    🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.

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